[2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate

C18H12FNO3 — CID 832234

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C18H12FNO3/c19-14-8-5-13(6-9-14)17(21)11-23-18(22)16-10-7-12-3-1-2-4-15(12)20-16/h1-10H,11H2
InChIKeyUATMJUKOTYPPEQ-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.41
Rot. Bonds4

About [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 832234) has the molecular formula C18H12FNO3 and a molecular weight of 309.30 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID832234
Molecular FormulaC18H12FNO3
Molecular Weight309.30 g/mol
Exact Mass309.08
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C18H12FNO3/c19-14-8-5-13(6-9-14)17(21)11-23-18(22)16-10-7-12-3-1-2-4-15(12)20-16/h1-10H,11H2
InChIKeyUATMJUKOTYPPEQ-UHFFFAOYSA-N
XLogP3.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate (CID 832234) is [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is UATMJUKOTYPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3/c19-14-8-5-13(6-9-14)17(21)11-23-18(22)16-10-7-12-3-1-2-4-15(12)20-16/h1-10H,11H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 309.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).